Chemical Components in the PDB

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GIO : Summary

Code

GIO

One-letter code

X

Molecule name

CYCLO-(GLYCINE-L-PROLINE) INHIBITOR

Synonyms

(8AR)-HEXAHYDROPYRROLO[1,2-A]PYRAZINE-1,4-DIONE

Systematic names

ProgramVersionName
ACDLabs 10.04 (8aS)-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
OpenEye OEToolkits 1.5.0 (8aS)-2,3,6,7,8,8a-hexahydropyrrolo[2,1-f]pyrazine-1,4-dione

Formula

C7 H10 N2 O2

Formal charge

0

Molecular weight

154.166 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1N2C(C(=O)NC1)CCC2
SMILES CACTVS 3.341 O=C1CNC(=O)[CH]2CCCN12
SMILES OpenEye OEToolkits 1.5.0 C1CC2C(=O)NCC(=O)N2C1
Canonical SMILES CACTVS 3.341 O=C1CNC(=O)[C@@H]2CCCN12
Canonical SMILES OpenEye OEToolkits 1.5.0 C1C[C@H]2C(=O)NCC(=O)N2C1

IUPAC InChI

InChI=1S/C7H10N2O2/c10-6-4-8-7(11)5-2-1-3-9(5)6/h5H,1-4H2,(H,8,11)/t5-/m0/s1

IUPAC InChI key

OWOHLURDBZHNGG-YFKPBYRVSA-N
GIO

wwPDB Information

Atom count

21 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2004-06-23

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned